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Compile Data Set for Download or QSAR

Found 5 hits from Antibiotics Laboratory   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84663
PNG
(Piperazine moiety, 3)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(Cc2ccncc2)CC1
Show InChI InChI=1S/C16H20N4O2S/c17-23(21,22)16-3-1-15(2-4-16)20-11-9-19(10-12-20)13-14-5-7-18-8-6-14/h1-8H,9-13H2,(H2,17,21,22)
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Article
PubMed
n/an/a 48 29n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84666
PNG
(Piperazine moiety, 6)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CC1)C(=O)c1ccncc1
Show InChI InChI=1S/C16H18N4O3S/c17-24(22,23)15-3-1-14(2-4-15)19-9-11-20(12-10-19)16(21)13-5-7-18-8-6-13/h1-8H,9-12H2,(H2,17,22,23)
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Article
PubMed
n/an/a 72 100n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84665
PNG
(Piperazine moiety, 5)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCN(CCO)CC1
Show InChI InChI=1S/C12H19N3O3S/c13-19(17,18)12-3-1-11(2-4-12)15-7-5-14(6-8-15)9-10-16/h1-4,16H,5-10H2,(H2,13,17,18)
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Article
PubMed
n/an/a 137 208n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84662
PNG
(4-Fuloro sulfonamide, C)
Show SMILES NS(=O)(=O)c1ccc(F)cc1
Show InChI InChI=1S/C6H6FNO2S/c7-5-1-3-6(4-2-5)11(8,9)10/h1-4H,(H2,8,9,10)
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Article
PubMed
n/an/a 203 435n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair
3D
3D Structure (crystal)
Carbonic anhydrase 2


(Homo sapiens (human))
BDBM84664
PNG
(Piperazine moiety, 4)
Show SMILES NS(=O)(=O)c1ccc(cc1)N1CCNCC1
Show InChI InChI=1S/C10H15N3O2S/c11-16(14,15)10-3-1-9(2-4-10)13-7-5-12-6-8-13/h1-4,12H,5-8H2,(H2,11,14,15)
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PC cid
PC sid
UniChem

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Article
PubMed
n/an/a 299 426n/an/an/a8.4n/a



Antibiotics Laboratory



Assay Description
Inhibitory activity of the compounds for CAII was measured and IC50 values were calculated from independent triplicated experiments. Kd values were ...


Chembiochem 10: 838-43 (2009)


Article DOI: 10.1002/cbic.200800704
BindingDB Entry DOI: 10.7270/Q2W094G1
More data for this
Ligand-Target Pair